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CAS 84743-75-9 2,4-dibroMobenzene-1,3,5-triol molecular structure lightbox
CAS RN: 84743-75-9

2,4-dibroMobenzene-1,3,5-triol

  • Product code: SSC-192302
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 84743-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

84743-75-9 / 2,4-dibromobenzene-1,3,5-triol

Standard CAS: 84743-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84743-75-9
Multi CAS
No
Molecular Formula
C6H4BR2O3
Molecular Weight
283.900000
Exact Mass
283.850670
InChI
InChI=1S/C6H4Br2O3/c7-4-2(9)1-3(10)5(8)6(4)11/h1,9-11H
InChIKey
SNZHHFHFCLIISK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.84
TPSA
60.69

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
3.3
Consensus LogP
2.56
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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